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Thorium in PDB 4zhc: Siderocalin-Mediated Recognition and Cellular Uptake of Actinides

Protein crystallography data

The structure of Siderocalin-Mediated Recognition and Cellular Uptake of Actinides, PDB code: 4zhc was solved by B.E.Allred, P.B.Rupert, S.S.Gauny, D.D.An, C.Y.Ralston, M.Sturzbecher-Hoehne, R.K.Strong, R.J.Abergel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 2.04
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 114.657, 114.657, 119.226, 90.00, 90.00, 90.00
R / Rfree (%) 20.6 / 22.9

Thorium Binding Sites:

The binding sites of Thorium atom in the Siderocalin-Mediated Recognition and Cellular Uptake of Actinides (pdb code 4zhc). This binding sites where shown within 5.0 Angstroms radius around Thorium atom.
In total 3 binding sites of Thorium where determined in the Siderocalin-Mediated Recognition and Cellular Uptake of Actinides, PDB code: 4zhc:
Jump to Thorium binding site number: 1; 2; 3;

Thorium binding site 1 out of 3 in 4zhc

Go back to Thorium Binding Sites List in 4zhc
Thorium binding site 1 out of 3 in the Siderocalin-Mediated Recognition and Cellular Uptake of Actinides


Mono view


Stereo pair view

A full contact list of Thorium with other atoms in the Th binding site number 1 of Siderocalin-Mediated Recognition and Cellular Uptake of Actinides within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Th201

b:60.6
occ:1.00
O15 A:TC2202 2.4 37.5 1.0
O14 A:TC2202 2.6 38.9 1.0
C3 A:TC2202 3.3 41.7 1.0
C2 A:TC2202 3.4 45.1 1.0
NZ A:LYS125 4.1 49.2 1.0
OH A:TYR106 4.6 37.0 1.0
C4 A:TC2202 4.7 34.4 1.0
NZ A:LYS134 4.7 41.1 1.0
C1 A:TC2202 4.7 40.0 1.0
N9 A:TC2202 4.8 51.0 1.0
O39 A:TC2202 4.9 73.7 1.0
CE2 A:TYR106 5.0 34.8 1.0

Thorium binding site 2 out of 3 in 4zhc

Go back to Thorium Binding Sites List in 4zhc
Thorium binding site 2 out of 3 in the Siderocalin-Mediated Recognition and Cellular Uptake of Actinides


Mono view


Stereo pair view

A full contact list of Thorium with other atoms in the Th binding site number 2 of Siderocalin-Mediated Recognition and Cellular Uptake of Actinides within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Th201

b:92.2
occ:1.00
O14 B:TC2202 2.4 60.1 1.0
O15 B:TC2202 3.2 54.2 1.0
C2 B:TC2202 3.5 69.6 1.0
C3 B:TC2202 3.8 66.7 1.0
NZ B:LYS125 3.8 73.5 1.0
N9 B:TC2202 4.7 75.1 1.0
C1 B:TC2202 4.7 74.0 1.0
CE B:LYS125 4.9 68.0 1.0
OH B:TYR106 5.0 55.8 1.0

Thorium binding site 3 out of 3 in 4zhc

Go back to Thorium Binding Sites List in 4zhc
Thorium binding site 3 out of 3 in the Siderocalin-Mediated Recognition and Cellular Uptake of Actinides


Mono view


Stereo pair view

A full contact list of Thorium with other atoms in the Th binding site number 3 of Siderocalin-Mediated Recognition and Cellular Uptake of Actinides within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Th201

b:62.7
occ:1.00
O14 C:TC2202 2.6 52.2 1.0
O15 C:TC2202 2.6 35.1 1.0
C2 C:TC2202 3.4 45.5 1.0
C3 C:TC2202 3.4 41.2 1.0
NZ C:LYS134 4.1 37.6 1.0
NZ C:LYS125 4.6 36.5 1.0
OH C:TYR106 4.7 36.1 1.0
C1 C:TC2202 4.8 33.5 1.0
C4 C:TC2202 4.8 32.0 1.0
N9 C:TC2202 4.8 60.9 1.0

Reference:

B.E.Allred, P.B.Rupert, S.S.Gauny, D.D.An, C.Y.Ralston, M.Sturzbecher-Hoehne, R.K.Strong, R.J.Abergel. Siderocalin-Mediated Recognition, Sensitization, and Cellular Uptake of Actinides. Proc.Natl.Acad.Sci.Usa V. 112 10342 2015.
ISSN: ESSN 1091-6490
PubMed: 26240330
DOI: 10.1073/PNAS.1508902112
Page generated: Wed Dec 16 02:28:19 2020

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